SCHEMBL3841303

SCHEMBL3841303

FC(F)(F)c1cccc(-c2cnc(OC3CN4CCC3CC4)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
GRIN1 Q05586 8/20 0.40
GRIN2B Q13224 8/20 0.40
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
CNR2 P34972 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3842386 0.89 CHRNA7 (0.40) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3844172 0.85 CHRNA7 (0.48) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3844170 0.85 CHRNA7 (0.48) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL3841705 0.82 CHRNA7 (0.61) CHRNA7MAOBCNR2
SCHEMBL3841703 0.82 CHRNA7 (0.61) CHRNA7MAOBCNR2
SCHEMBL3843580 0.82 CHRNA7 (0.51) CHRNA7ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL5397013 0.82 MAP4K4 (0.47) CHRNA7CHRM2CHRM1CHRM3CHRM4
SCHEMBL3843584 0.82 CHRNA7 (0.51) CHRNA7ALDH1A1CHRM2CHRM1CHRM3
SCHEMBL3840502 0.82 TSHR (0.49) CHRNA7L3MBTL1CHRM2CHRM1CHRM3
SCHEMBL5394680 0.82 MAP4K4 (0.47) CHRNA7CHRM2CHRM1CHRM3CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US claimed
EP-1537104-B1 AZA-BICYCLOALKYL ETHERS AND THEIR USE AS ALPHA7-NACHR AGONISTS NOVARTIS AG (CH) 2009-11-11 EP claimed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed
US-9012451-B2 Aza-bicycloalkyl ethers and their use as ALPHA7-nachr agonists NOVARTIS AG (CH) 2015-04-21 US disclosed